Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : T5C

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 89


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O36 O O36 N N N 0 -2.744 -4.877 2.552
2 S35 S S35 N N N 0 -3.641 -5.258 1.477
3 O37 O O37 N N N 0 -5.063 -4.484 1.681
4 O38 O O38 N N N 0 -3.909 -6.65 1.167
5 C13 C C13 N N N 0 -3.142 -4.433 -0.003
6 C12 C C12 N N N 0 -1.727 -4.792 -0.413
7 N1 N N1 N N N 0 -1.335 -4.144 -1.647
8 C9 C C9 N Y N 0 -0.857 -2.83 -1.642
9 C8 C C8 N Y N 0 -0.676 -1.963 -0.575
10 C7 C C7 N Y N 0 -0.177 -0.681 -0.829
11 C6 C C6 N Y N 0 0.135 -0.276 -2.135
12 S39 S S39 N N N 0 0.757 1.332 -2.417
13 O41 O O41 N N N 0 1.373 1.797 -1.183
14 O40 O O40 N N N 0 -0.563 2.263 -2.671
15 O42 O O42 N N N 0 1.519 1.28 -3.654
16 C5 C C5 N Y N 0 -0.047 -1.146 -3.21
17 C4 C C4 N Y N 0 -0.541 -2.415 -2.95
18 C3 C C3 N N N 0 -0.834 -3.553 -3.918
19 C11 C C11 N N N 0 0.451 -3.99 -4.635
20 C10 C C10 N N N 0 -1.91 -3.133 -4.928
21 C2 C C2 N N N 0 -1.353 -4.651 -2.948
22 C14 C C14 N N N 0 -1.739 -5.869 -3.359
23 C15 C C15 N N N 0 -1.712 -6.283 -4.742
24 C16 C C16 N N N 0 -2.101 -7.505 -5.142
25 C17 C C17 N N N 0 -2.106 -8.007 -6.517
26 C34 C C34 N N N 0 -1.629 -7.069 -7.602
27 C18 C C18 N N N 0 -2.508 -9.247 -6.87
28 C19 C C19 N N N 0 -2.552 -9.84 -8.193
29 C20 C C20 N N N 0 -2.977 -11.093 -8.402
30 C22 C C22 N N N 0 -2.988 -11.612 -9.768
31 C23 C C23 N N N 0 -4.217 -11.463 -10.692
32 C31 C C31 N N N 0 -4.527 -9.988 -10.963
33 C30 C C30 N N N 0 -5.433 -12.192 -10.113
34 C24 C C24 N Y N 0 -3.705 -12.149 -11.924
35 C25 C C25 N Y N 0 -4.312 -12.373 -13.149
36 C26 C C26 N Y N 0 -3.586 -13.05 -14.132
37 S47 S S47 N N N 0 -4.315 -13.353 -15.691
38 O48 O O48 N N N 0 -3.646 -14.503 -16.283
39 O50 O O50 N N N 0 -3.929 -12.054 -16.604
40 O49 O O49 N N N 0 -5.755 -13.354 -15.491
41 C27 C C27 N Y N 0 -2.277 -13.491 -13.88
42 C28 C C28 N Y N 0 -1.671 -13.262 -12.642
43 C29 C C29 N Y N 0 -2.407 -12.588 -11.681
44 N21 N N21 N N N 1 -2.021 -12.241 -10.37
45 C32 C C32 N N N 0 -0.68 -12.605 -9.886
46 C33 C C33 N N N 0 0.331 -11.577 -10.351
47 S43 S S43 N N N 0 1.963 -11.904 -9.756
48 O46 O O46 N N N 0 2.386 -13.205 -10.239
49 O44 O O44 N N N 0 2.022 -11.56 -8.348
50 O45 O O45 N N N 0 2.734 -10.749 -10.612
51 H131 H 1H13 N N N 0 -3.852 -4.739 -0.777
52 H132 H 2H13 N N N 0 -3.254 -3.36 0.175
53 H121 H 1H12 N N N 0 -1.001 -4.507 0.355
54 H122 H 2H12 N N N 0 -1.645 -5.87 -0.581
55 H8 H H8 N N N 0 -0.912 -2.258 0.442
56 H7 H H7 N N N 0 -0.028 0.013 -0.006
57 H5 H H5 N N N 0 0.196 -0.83 -4.218
58 H111 H 1H11 N N N 0 0.217 -4.443 -5.602
59 H112 H 2H11 N N N 0 1.107 -3.13 -4.807
60 H113 H 3H11 N N N 0 0.996 -4.724 -4.034
61 H101 H 1H10 N N N 0 -2.252 -3.996 -5.507
62 H102 H 2H10 N N N 0 -2.773 -2.7 -4.412
63 H103 H 3H10 N N N 0 -1.515 -2.387 -5.623
64 H14 H H14 N N N 0 -2.09 -6.578 -2.617
65 H15 H H15 N N N 0 -1.355 -5.547 -5.458
66 H16 H H16 N N N 0 -2.447 -8.191 -4.373
67 H341 H 1H34 N N N 0 -2.253 -6.17 -7.64
68 H342 H 2H34 N N N 0 -0.588 -6.774 -7.43
69 H343 H 3H34 N N N 0 -1.669 -7.527 -8.597
70 H18 H H18 N N N 0 -2.849 -9.912 -6.075
71 H191 H 1H19 N N N 0 -2.228 -9.242 -9.038
72 H201 H 1H20 N N N 0 -3.315 -11.748 -7.608
73 H311 H 1H31 N N N 0 -4.813 -9.48 -10.037
74 H312 H 2H31 N N N 0 -3.651 -9.482 -11.378
75 H313 H 3H31 N N N 0 -5.35 -9.893 -11.677
76 H301 H 1H30 N N N 0 -5.118 -12.947 -9.387
77 H302 H 2H30 N N N 0 -6.1 -11.486 -9.609
78 H303 H 3H30 N N N 0 -5.995 -12.691 -10.907
79 H25 H H25 N N N 0 -5.324 -12.029 -13.337
80 H27 H H27 N N N 0 -1.72 -14.018 -14.651
81 H28 H H28 N N N 0 -0.659 -13.608 -12.465
82 H321 H 1H32 N N N 0 -0.459 -13.61 -10.258
83 H322 H 2H32 N N N 0 -0.737 -12.629 -8.794
84 H331 H 1H33 N N N 0 0.066 -10.59 -9.961
85 H332 H 2H33 N N N 0 0.393 -11.513 -11.443
86 H37 H H37 N N N 0 -4.995 -3.539 1.955
87 H40 H H40 N N N 0 -1.176 2.342 -1.903
88 H45 H H45 N N N 0 2.804 -10.917 -11.581
89 H50 H H50 N N N 0 -2.965 -11.932 -16.776